On the nature of the phase transitions of aluminosilicate perrhenate sodalite

2020 ◽  
Vol 235 (6-7) ◽  
pp. 213-223
Author(s):  
Hilke Petersen ◽  
Lars Robben ◽  
Thorsten M. Gesing
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Decomposition Temperature ◽  
Second Phase ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Two Phase ◽  
Structure Property Relationships ◽  
Heat Capacity Measurements

AbstractThe temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered $P\overline{4}3n$ (> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in $P\overline{4}3n$. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from $P\overline{4}3n$ to $Pm\overline{3}n$, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.

Structure-Property Relationships in SrRuO3 Epitaxial Thin Films

1997 ◽  
Vol 474 ◽  
Author(s):  
J-P. Maria ◽  
S. Trolier-McKinstry ◽  
D. G. Schlom
Keyword(s):  
Film Structure ◽  
Epitaxial Thin Films ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Lattice Constants ◽  
Structure Property Relationships ◽  
Structures And Properties ◽  
Structural And Electrical Properties ◽  
Out Of Plane

ABSTRACTEpitaxial SrRuO3 films were prepared on (001) SrTiO3 substrates by pulsed laser deposition. The film structure was characterized by 4-circle x-ray diffraction and the electrical behavior by temperature dependent resistivity measurements. With variations in the deposition conditions, significant changes in both structural and electrical properties were observed. When deposited under conditions favoring appreciable energetic bombardment, the SrRuO3 films on SrTiO3 exhibited extended in and out-of-plane lattice constants and increased values of resistivity; in addition, a depression of the Curie temperature was measured. SrRuO3 deposited under less aggressive conditions displayed structures and properties more similar to those associated with bulk crystals.

Temperature-induced structural phase transitions in RERhSn (RE = Y, Gd-Tm, Lu)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Simon Engelbert ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Steffen Klenner ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Phase Transitions ◽  
Driving Force ◽  
Room Temperature ◽  
Structural Phase ◽  
Structural Phase Transitions ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray

Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.

Nanostructured TiO2-Based Composites for Light Absorption

2014 ◽  
Vol 975 ◽  
pp. 207-212
Author(s):  
Dayse I. dos Santos ◽  
Olayr Modesto Jr. ◽  
Luis Vicente A. Scalvi ◽  
Americo S. Tabata
Keyword(s):  
Metal Oxide ◽  
Light Absorption ◽  
Structural Characteristics ◽  
Sol Gel ◽  
Second Phase ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Oxide Powders

Metal oxide nanocomposites were prepared by two different routes: polyol and sol-gel. Characterization by X ray diffraction showed that the first process produces directly a two-phase material, while the sol-gel powder never showed second phase below 600°C. Light spectroscopy of the treated powders indicated similarities for the processed materials. Although the overall material compositions are about the same, different structural characteristics are found for each processing. With the exception of Ti-Zn materials, all the double metal oxide powders showed higher absorbance than either TiO2 powder.

Structure/Property Relationships of Seashells

2004 ◽  
Vol 844 ◽  
Author(s):  
David J. Scurr ◽  
Stephen J. Eichhorn
Keyword(s):  
Raman Band ◽  
Surface Damage ◽  
Structure Property ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Property Relationships ◽  
Energy Variable ◽  
Insight Into ◽  
Characterisation Techniques ◽  
Scanning Electron

ABSTRACTThis study uses various characterisation techniques on the razor shell (Ensis siliqua), to relate the shell's microstructure to its mechanical properties. Scanning electron microscopy (SEM) has shown that the outer and inner regions of the shell are composed of simple and complex crossed lamellar microstructures respectively. These layers are interspersed by prismatic layers of a completely different crystallographic orientation. Nanoindentation and microhardness measurements have shown that the structure is anisotropic, and Raman band shifts have been observed within these indented/deformed areas of shell, showing that the microstructure deforms rather than generating surface damage. The use of energy variable synchrotron X-ray diffraction has shown that the calcium carbonate crystals of the shell are preferentially orientated as a function of depth and that opposing residual stresses exist at the outer and inner regions of the shell. This study has analysed several microstructural features of the shell and provided an insight into how they prevent failure of the material.

Crystal and electronic structure of the new ternary phosphide Ho5Pd19P12

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Olha Zhak ◽  
Oksana Karychort ◽  
Volodymyr Babizhetskyy ◽  
Chong Zheng
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Structure Property Relationships ◽  
Metallic Bonding ◽  
Crystal And Electronic Structure ◽  
Insight Into

Abstract The title compound was prepared from the pure elements by sintering. The crystal structure was investigated by means of powder X-ray diffraction data. Ho5Pd19P12 exhibits the hexagonal Ho5Ni19P12-type structure with space group P 6 ‾ 2 m $P&#x203e;{6}2m$ , a = 13.1342(2), c = 3.9839(1) Å, R I = 0.060, R p = 0.080. The crystal structure can be described as a combination of two types of the structural units, [HoPd6P3] and [Ho3Pd10P6], respectively, mutually displaced by 1/2 along the crystallographic c axis. Quantum chemical calculations have been performed to analyze the electronic structure and provide deeper insight into the structure-property relationships. The results of the quantum chemical calculations indicate that the material features metallic bonding between Ho and Pd and covalent bonding between Pd and P.

X-ray diffraction and Raman study of DL-alanine at high pressure: revision of phase transitions

2012 ◽  
Vol 68 (4) ◽  
pp. 412-423 ◽  
Author(s):  
Nikolay A. Tumanov ◽  
Elena V. Boldyreva
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Structural Phase ◽  
Group Symmetry ◽  
Second Phase ◽  
Structural Phase Transitions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Raman Study

The effect of pressure on DL-alanine has been studied by X-ray powder diffraction (up to 8.3 GPa), single-crystal X-ray diffraction and Raman spectroscopy (up to ∼ 6 GPa). No structural phase transitions have been observed. At ∼ 1.5–2 GPa, cell parameters b and c become accidentally equal to each other, but the space-group symmetry does not change. There is no phase transition between 1.7 and 2.3 GPa, contrary to what has been reported earlier [Belo et al. (2010). Vibr. Spectrosc. 54, 107–111]. The presence of the second phase transition, which was claimed to appear within the pressure range from 6.0 to 7.3 GPa (Belo et al., 2010), is also argued. The changes in the Raman spectra have been shown to be continuous in all the pressure ranges studied.

scholarly journals Thermal evolution of the crystal structure and phase transitions of KNbO 3

2018 ◽  
Vol 5 (6) ◽  
pp. 180368 ◽  
Author(s):  
S. L. Skjærvø ◽  
K. Høydalsvik ◽  
A. B. Blichfeld ◽  
M.-A. Einarsrud ◽  
T. Grande
Keyword(s):  
Crystal Structure ◽  
Phase Transitions ◽  
Thermal Evolution ◽  
Dynamical Instability ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Cell Parameters ◽  
First Order ◽  
Heating And Cooling

The thermal evolution of the crystal structure and phase transitions of KNbO 3 were investigated by high-temperature powder X-ray diffraction and Rietveld refinement of the diffraction data. Two phase transitions from orthorhombic ( Amm 2) to tetragonal ( P 4 mm ) and from tetragonal to cubic ( P m 3 ¯ m ) were confirmed, both on heating and cooling. Both phase transitions are first order based on the observed hysteresis. The mixed displacive and order–disorder nature of the tetragonal to cubic transition is argued based on symmetry and apparent divergence of the atomic positions from pseudo-cubic values. The transition between the orthorhombic and tetragonal phase shows no temperature-dependence for atomic positions and only thermal expansion of the unit cell parameters and is thus discussed in relation to a lattice dynamical instability.

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